4-methyl-4-(3-methyl-3-prop-2-enoxybutoxy)pent-1-ene

C14H26O2 — CID 88543104

IUPAC4-methyl-4-(3-methyl-3-prop-2-enoxybutoxy)pent-1-ene
SMILESC=CCOC(C)(C)CCOC(C)(C)CC=C
InChIInChI=1S/C14H26O2/c1-7-9-13(3,4)16-12-10-14(5,6)15-11-8-2/h7-8H,1-2,9-12H2,3-6H3
InChIKeyNMUOPKHGUPIKEQ-UHFFFAOYSA-N
MW226.36 g/mol
LogP3.73
Rot. Bonds9

About 4-methyl-4-(3-methyl-3-prop-2-enoxybutoxy)pent-1-ene

4-methyl-4-(3-methyl-3-prop-2-enoxybutoxy)pent-1-ene (PubChem CID 88543104) has the molecular formula C14H26O2 and a molecular weight of 226.36 g/mol. Its IUPAC name is 4-methyl-4-(3-methyl-3-prop-2-enoxybutoxy)pent-1-ene.

Molecular Properties

Compound Name4-methyl-4-(3-methyl-3-prop-2-enoxybutoxy)pent-1-ene
PubChem CID88543104
Molecular FormulaC14H26O2
Molecular Weight226.36 g/mol
Exact Mass226.19
IUPAC Name4-methyl-4-(3-methyl-3-prop-2-enoxybutoxy)pent-1-ene
SMILESC=CCOC(C)(C)CCOC(C)(C)CC=C
InChIInChI=1S/C14H26O2/c1-7-9-13(3,4)16-12-10-14(5,6)15-11-8-2/h7-8H,1-2,9-12H2,3-6H3
InChIKeyNMUOPKHGUPIKEQ-UHFFFAOYSA-N
XLogP3.73
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-4-(3-methyl-3-prop-2-enoxybutoxy)pent-1-ene?
The IUPAC name of 4-methyl-4-(3-methyl-3-prop-2-enoxybutoxy)pent-1-ene (CID 88543104) is 4-methyl-4-(3-methyl-3-prop-2-enoxybutoxy)pent-1-ene.
What is the SMILES notation for 4-methyl-4-(3-methyl-3-prop-2-enoxybutoxy)pent-1-ene?
The canonical SMILES for 4-methyl-4-(3-methyl-3-prop-2-enoxybutoxy)pent-1-ene is C=CCOC(C)(C)CCOC(C)(C)CC=C.
What is the InChIKey of 4-methyl-4-(3-methyl-3-prop-2-enoxybutoxy)pent-1-ene?
The InChIKey is NMUOPKHGUPIKEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O2/c1-7-9-13(3,4)16-12-10-14(5,6)15-11-8-2/h7-8H,1-2,9-12H2,3-6H3.
What are the key properties of 4-methyl-4-(3-methyl-3-prop-2-enoxybutoxy)pent-1-ene?
4-methyl-4-(3-methyl-3-prop-2-enoxybutoxy)pent-1-ene has a molecular weight of 226.36 g/mol, XLogP of 3.73, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-4-(3-methyl-3-prop-2-enoxybutoxy)pent-1-ene is sourced from PubChem (CID 88543104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).